2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-2610 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 528.78 |
| Molecular Formula: | C21 H14 Br Cl F3 N3 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cc(ccc2[Cl])C(F)(F)F)c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1178 |
| logD: | 5.1178 |
| logSw: | -5.8352 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | KULIZWRVNWVRMA-SFHVURJKSA-N |